Donors to the QSAR Toolbox

The success of the OECD QSAR Toolbox is largely due to the donation of tools and databases by numerous stakeholders. While several profilers and databases have been generated as part of the development of the Toolbox, many have been donated as outlined in the table below (Version2.1).

Donor

Description of tool

or database

Reference /

Further

information

The United States Environmental Protection Agency

(US-EPA)

Aquatic toxicity classification by ECOSAR (Profiler)

This profiler classifies chemicals according to structure into chemical classes for which structure activity relationships have been developed for aquatic toxicity.

This rulebase for mutagenicity and carcinogenicity was developed as a module (plug-in) to the Toxtree software. The structural alerts (SAs) from the rulebase have been included as a profiler in the Toolbox.

This classification scheme for an acute toxicity to fish defines classes of inert, less inert, reactive and specifically-acting chemicals. It was developed as a module for the Toxtree software and included as a profiler in the Toolbox.

This classification scheme (tree) is for structuring chemicals in order to make an estimation of a Threshold of Toxicological Concern (TTC). It was developed as a module for the Toxtree software and included as a profiler in the Toolbox.

This is a curated database, containing critically-selected information on chemical compounds tested with the in vivo Micronucleus mutagenicity assay in rodents.

Laboratory of Mathematical Chemistry (LMC),

Bulgaria

US-EPA

Acute aquatic Toxicity MOA by OASIS

(Profiler)

This profiler classifies chemicals for their acute aquatic toxicity mode of action, which was developed by the US-EPA.

Russom CL et al. 1997. Environ. Toxicol. Chem. 16 (5):948-967

Laboratory of Mathematical Chemistry (LMC),

Bulgaria

US-EPA

Oncologic primary classification

(Profiler)

This profiler consists of molecular definitions developed by the US-EPA to mimic the structural criteria of chemical classes of potential carcinogens covered by the US-EPA's OncoLogic™ Cancer Expert System for Predicting Carcinogenicity Potential.